Molecule card · MolClass #37089
14742601
14742601: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
1 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 14742601Mitochondrial Fusion · compound_name
- MolClass ID
- 37089
- InChIKey
- GUNRFHXLHYVDGP-FYWRMAATSA-N
- Canonical SMILES
- CCCC3=Nc1ncnn1C(c2ccncc2)C3(=C(O)OCC)
- Standard InChI
- InChI=1S/C16H19N5O2/c1-3-5-12-13(15(22)23-4-2)14(11-6-8-17-9-7-11)21-16(20-12)18-10-19-21/h6-10,14,22H,3-5H2,1-2H3/b15-13+
- Stored Murcko scaffold
- n1ccc(cc1)C2[CH]C=Nc3ncnn32
Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.
Molecules with the same Murcko scaffold
Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 85.42 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 313.355 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.835
- CDK 2.12 · 2026-08-19
Saved model predictions
Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.
No saved predictions yet. Explore classification models to choose a prediction.
Source datasets
Dataset registrations and identifiers stored in MolClass.
Mitochondrial Fusion
Dataset #19 · 14742601